SpectraBase Spectrum ID |
H6faBON4ocK |
Name |
p-Pentyl-N-(2-thiazolin-2-yl)benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.129634445 u |
Formula |
C15H20N2OS |
InChI |
InChI=1S/C15H20N2OS/c1-2-3-4-5-12-6-8-13(9-7-12)14(18)17-15-16-10-11-19-15/h6-9H,2-5,10-11H2,1H3,(H,16,17,18) |
InChIKey |
VRZDROPHDNDIEC-UHFFFAOYSA-N |
Molecular Weight |
276.398 g/mol |
SMILES |
N(C(C1=CC=C(C=C1)CCCCC)=O)C1=NCCS1 |
Spectrum/Structure Validation Score (Raman) |
0.912046 |